SCHEMBL5951555

SCHEMBL5951555

CC1Cc2c(cccc2-c2cccc(O)c2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.55
TDP2 O95551 3/20 0.42
HSD17B1 P14061 3/20 0.39
HSD17B2 P37059 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
GAPDH P04406 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5952898 0.89 ACHE (0.57) ACHEMAOAMAOB
SCHEMBL5952061 0.84 ACHE (0.58) ACHEMAOAMAOB
SCHEMBL5952536 0.83 ACHE (0.57) ACHE
SCHEMBL5952610 0.83 ACHE (0.61) ACHEMAOB
SCHEMBL5952394 0.83 ACHE (0.57) ACHE
SCHEMBL3066323 0.82 ACHE (0.64) ACHE
SCHEMBL5952238 0.82 ACHE (0.55) ACHETDP2MAOAMAOB
SCHEMBL5952357 0.80 ACHE (0.57) ACHE
SCHEMBL5952058 0.80 ACHE (0.60) ACHE
SCHEMBL5951226 0.79 TDP2 (0.52) ACHETDP2HSD17B1HSD17B2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ACHE 839/4885TDP2 2954/4885HSD17B1 338/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ACHE 820/4885TDP2 2981/4885HSD17B1 326/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.